Molecule

ID:85829

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆
Molecular Mass
148.24474
Exact Mass
148.12520051
Charge
0
InChI
InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
CJGXJKVMUHXVHL-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccc1)(C)C
Isomeric Smiles
CC(Cc1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9628708
LogD (pH = 7.4)
3.9628708
Log P
3.9628708
Molar Refractivity
49.3249
Polarizability
19.54866
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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